(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C9H11BrClNO — CID 91844828

IUPAC(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.N[C@@H]1CCOc2c(Br)cccc21
InChIInChI=1S/C9H10BrNO.ClH/c10-7-3-1-2-6-8(11)4-5-12-9(6)7;/h1-3,8H,4-5,11H2;1H/t8-;/m1./s1
InChIKeyGQVQWQSPIBHZSG-DDWIOCJRSA-N
MW264.55 g/mol
LogP2.65
Rot. Bonds

About (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride

(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 91844828) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID91844828
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.N[C@@H]1CCOc2c(Br)cccc21
InChIInChI=1S/C9H10BrNO.ClH/c10-7-3-1-2-6-8(11)4-5-12-9(6)7;/h1-3,8H,4-5,11H2;1H/t8-;/m1./s1
InChIKeyGQVQWQSPIBHZSG-DDWIOCJRSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 91844828) is (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride is Cl.N[C@@H]1CCOc2c(Br)cccc21.
What is the InChIKey of (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is GQVQWQSPIBHZSG-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10BrNO.ClH/c10-7-3-1-2-6-8(11)4-5-12-9(6)7;/h1-3,8H,4-5,11H2;1H/t8-;/m1./s1.
What are the key properties of (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 264.55 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 91844828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).